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Fixed issues with angles in octahedral systems
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@seamm seamm released this 28 Aug 09:55
· 30 commits to main since this release
2023.8.27
064487a
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Learn about vigilant mode.
  • Implemented tabulated angle to fix the problem of the angle at 0º in the simple fourier angle. Added a LJ repulsive 1/R^12 term between the terminal angles of the angle.
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